SCHEMBL3025191

SCHEMBL3025191

Cc1cc(C)cc(Nc2c3nccn3nc(N)c2[C@H]2CC[C@H](N)CC2)c1

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.38
SYK P43405 4/20 0.35
ZAP70 P43403 1/20 0.35
FLT3 P36888 2/20 0.34
CCNE1 P24864 1/20 0.34
CDK2 P24941 1/20 0.34
RAPGEF4 Q8WZA2 2/20 0.33
JAK2 O60674 1/20 0.31
LYN P07948 1/20 0.31
EGFR P00533 1/20 0.31
ERBB2 P04626 1/20 0.31
TYK2 P29597 2/20 0.31
IDO1 P14902 1/20 0.30
TDO2 P48775 1/20 0.30
PDE4D Q08499 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL3023975 0.90 EGFR (0.40) KDRSYKFLT3CCNE1CDK2
SCHEMBL3012714 0.89 CCNE1 (0.38) FLT3CCNE1CDK2RAPGEF4EGFR
SCHEMBL3021677 0.89 CCNE1 (0.38) FLT3CCNE1CDK2RAPGEF4EGFR
SCHEMBL3005097 0.87 EGFR (0.36) FLT3CCNE1CDK2RAPGEF4JAK2
SCHEMBL3014102 0.87 SYK (0.35) SYKZAP70FLT3CCNE1CDK2
SCHEMBL3011164 0.87 CCNE1 (0.39) FLT3CCNE1CDK2
SCHEMBL3017894 0.86 CCNE1 (0.36) SYKFLT3CCNE1CDK2EGFR
SCHEMBL3027054 0.86 FLT3 (0.36) FLT3CCNE1CDK2JAK2IDO1
SCHEMBL3017867 0.86 FLT3 (0.36) FLT3CCNE1CDK2JAK2IDO1
SCHEMBL3024787 0.86 PAK4 (0.35) KDRFLT3CCNE1CDK2JAK2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1928879-B1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL MYERS SQUIBB CO (US) 2013-02-13 EP claimed
US-7723336-B2 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-25 US claimed
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US claimed
US-20070078136-A1 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY 2007-04-05 US claimed
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO BROWN DENNIS M (US) 2020-07-02 US disclosed
US-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo BROWN DENNIS M (US) 2019-08-20 US disclosed
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO BROWN DENNIS M (US) 2016-08-25 US disclosed
EP-1928879-B1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL MYERS SQUIBB CO (US) 2013-02-13 EP disclosed
US-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2010-08-12 US disclosed
US-7723336-B2 Fused heterocyclic compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2010-05-25 US disclosed
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2008-02-21 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (6 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20070078136-A1 Fused heterocyclic compounds useful as kinase modulators MAP3K2, MAP3K3, MAP4K2 KDR 576/4885SYK 605/4885ZAP70 558/4885
US-10383847-B2 Compositions and methods to improve the therapeutic benefit of indirubin and analogs thereof, including meisoindigo NEK9, NEK7, NEK3 KDR 4228/4885SYK 1941/4885ZAP70 2736/4885
US-20100204212-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP2K2, MAP3K2, MAP4K2 KDR 569/4885SYK 781/4885ZAP70 512/4885
US-20200206188-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 KDR 4228/4885SYK 1941/4885ZAP70 2736/4885
US-20080045536-A1 FUSED HETEROCYCLIC COMPOUNDS USEFUL AS KINASE MODULATORS MAP3K3, MAP3K2, MAP4K3 KDR 634/4885SYK 701/4885ZAP70 575/4885
US-20160243077-A1 COMPOSITIONS AND METHODS TO IMPROVE THE THERAPEUTIC BENEFIT OF INDIRUBIN AND ANALOGS THEREOF, INCLUDING MEISOINDIGO NEK9, NEK7, NEK3 KDR 4228/4885SYK 1941/4885ZAP70 2736/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.